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Epimedoside A

CAT: 0931-TN1611-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1611-04Size:10 mg
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CAS Number
39012-04-9
Target
Others
Related Pathways
Others
Purity
0.9967
Bioactivity
Epimedoside A has significant antioxidant activity in vitro.
Smiles
C[C@@H]1O[C@@H](Oc2c(oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Molecular Formula
C32H38O15
Molecular Weight
662.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Epimedoside A

Epimedoside A has been reported in Epimedium pubescens, Epimedium acuminatum, and other organisms with data available.

CAS Number39012-04-9
PubChem CID5317093
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC32H38O15
Molecular Weight662.6
XLogP1.3
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1150
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)O
InChI
InChI=1S/C32H38O15/c1-12(2)4-9-16-18(44-32-27(42)25(40)22(37)19(11-33)45-32)10-17(35)20-23(38)30(47-31-26(41)24(39)21(36)13(3)43-31)28(46-29(16)20)14-5-7-15(34)8-6-14/h4-8,10,13,19,21-22,24-27,31-37,39-42H,9,11H2,1-3H3/t13-,19+,21-,22+,24+,25-,26+,27+,31-,32+/m0/s1
InChIKey
OGYXOOJUJQIDOX-FVCAYHPDSA-N
Chemical Structure
2D Structure
2D structure of Epimedoside A
CAS: 39012-04-9
CID: 5317093
Formula: C32H38O15
MW: 662.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight662.6
XLogP31.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass662.22107050
Monoisotopic Mass662.22107050
Topological Polar Surface Area245 Ų
Heavy Atom Count47
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes